N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide

C24H32ClNO3 — CID 178062536

IUPACN-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide
SMILESCOc1cc(CCCCl)ccc1CCOCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H32ClNO3/c1-18(2)20-8-10-22(11-9-20)24(27)26-14-16-29-15-12-21-7-6-19(5-4-13-25)17-23(21)28-3/h6-11,17-18H,4-5,12-16H2,1-3H3,(H,26,27)
InChIKeyGQYGWSNOGFDJLM-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.98
Rot. Bonds12

About N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide

N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide (PubChem CID 178062536) has the molecular formula C24H32ClNO3 and a molecular weight of 417.98 g/mol. Its IUPAC name is N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide
PubChem CID178062536
Molecular FormulaC24H32ClNO3
Molecular Weight417.98 g/mol
Exact Mass417.21
IUPAC NameN-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide
SMILESCOc1cc(CCCCl)ccc1CCOCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H32ClNO3/c1-18(2)20-8-10-22(11-9-20)24(27)26-14-16-29-15-12-21-7-6-19(5-4-13-25)17-23(21)28-3/h6-11,17-18H,4-5,12-16H2,1-3H3,(H,26,27)
InChIKeyGQYGWSNOGFDJLM-UHFFFAOYSA-N
XLogP4.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]formamide;1-methyl-4-propan-2-ylbenzene
CID 178062532
tert-butyl N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]carbamate
CID 170395824
4-[(butanoylamino)methyl]-N-[2-[2-(4-butyl-2-methoxyphenyl)ethoxy]ethyl]benzamide
CID 170597223
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
CID 110425052
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide (CID 178062536) is N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide is COc1cc(CCCCl)ccc1CCOCCNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide?
The InChIKey is GQYGWSNOGFDJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO3/c1-18(2)20-8-10-22(11-9-20)24(27)26-14-16-29-15-12-21-7-6-19(5-4-13-25)17-23(21)28-3/h6-11,17-18H,4-5,12-16H2,1-3H3,(H,26,27).
What are the key properties of N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide?
N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide has a molecular weight of 417.98 g/mol, XLogP of 4.98, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(3-chloropropyl)-2-methoxyphenyl]ethoxy]ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 178062536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).